Information card for entry 1548910

Structure parameters

• Formula: C20 H28 Cl3 N4 O4 Ru
• Calculated formula: C20 H28 Cl3 N4 O4 Ru
• SMILES: [Ru]123(Cl)(Cl)[n]4ccccc4C[N]1(C)[C@H]1CCCC[C@@H]1[N]2(C)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-].[Ru]123(Cl)(Cl)[n]4ccccc4C[N]1(C)[C@@H]1CCCC[C@H]1[N]2(C)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N₄) ligands for hydrocarbon oxidations.
• Authors of publication: Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2803 - 2816
• a: 11.0085 ± 0.0006 Å
• b: 13.2457 ± 0.0007 Å
• c: 15.8552 ± 0.0009 Å
• α: 90°
• β: 92.636 ± 0.002°
• γ: 90°
• Cell volume: 2309.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No